1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid

C11H7F2NO2 — CID 43477034

IUPAC1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1ccc(F)cc1F
InChIInChI=1S/C11H7F2NO2/c12-7-3-4-9(8(13)6-7)14-5-1-2-10(14)11(15)16/h1-6H,(H,15,16)
InChIKeyBVGJVJVUQBAAAI-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.45
Rot. Bonds2

About 1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid

1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid (PubChem CID 43477034) has the molecular formula C11H7F2NO2 and a molecular weight of 223.18 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid
PubChem CID43477034
Molecular FormulaC11H7F2NO2
Molecular Weight223.18 g/mol
Exact Mass223.04
IUPAC Name1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1ccc(F)cc1F
InChIInChI=1S/C11H7F2NO2/c12-7-3-4-9(8(13)6-7)14-5-1-2-10(14)11(15)16/h1-6H,(H,15,16)
InChIKeyBVGJVJVUQBAAAI-UHFFFAOYSA-N
XLogP2.45
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-pyridinyl)pyrrole-2-carboxylic acid
CID 175768383
1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid
CID 43477022
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82421494
3-[1-(2,4-difluorophenyl)pyrrol-2-yl]propan-1-amine
CID 170879072
1-(2,4-difluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133814
1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid
CID 114603399
5-fluoro-2-pyrrol-1-ylbenzoic acid
CID 24700120
1-(3-methylsulfanylphenyl)pyrrole-2-carboxylic acid
CID 43477074
1-(3-bromophenyl)pyrrole-2-carboxylic acid
CID 43477066
1-[(2-chloro-5-fluorophenyl)methyl]pyrrole-2-carboxylic acid
CID 102616561
4-bromo-1-(2-bromo-4-fluorophenyl)pyrrole-2-carboxylic acid
CID 114603698
1-(4-bromophenyl)pyrrole-2-carboxylic acid
CID 1491696

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid (CID 43477034) is 1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid?
The InChIKey is BVGJVJVUQBAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2/c12-7-3-4-9(8(13)6-7)14-5-1-2-10(14)11(15)16/h1-6H,(H,15,16).
What are the key properties of 1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid?
1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid has a molecular weight of 223.18 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43477034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).